US EditionAI Rebuilds Molecules From Exploding Fragments
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For the past five years, AI has been imposing itself in structural biology by predicting protein conformation from their sequence, much faster than conventional experimental methods. However, a team from the SLAC National Accelerator Laboratory (DOE) is exploring another path: with MOLEXA, an unprecedented generative model, it manages to reconstruct the three-dimensional geometry of a molecule from fragments produced during an X-ray-induced Coul…
AI Rebuilds Molecules From Exploding Fragments
Researchers at the Department of Energy's SLAC National Accelerator Laboratory and collaborating institutions recently built a generative AI model that can recreate molecular structures from the movement of the molecule's ions after they are blasted apart by X-rays, a technique called Coulomb explosion imaging.
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